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Lecture 7: Molecular Dynamics Simulation: Calculating Non-bounded Interactions in Real Space
Online Presentations | 25 Jul 2024 | Contributor(s):: Ming Chen
This lecture discusses details about how to calculate non-bounded interactions in real space.
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Lecture 6: Molecular Dynamics Simulation: Common Force Field Forms
Online Presentations | 25 Jul 2024 | Contributor(s):: Ming Chen
This lecture introduce a type of approximated potential energy function: force fields. A set of common function forms used for simulating molecular systems are discussed.
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SMMDS Lectue 5: Potential Energy Function
Online Presentations | 19 Jul 2024 | Contributor(s):: Ming Chen
This lecture introduce the potential energy function used in Lagrangian mechanics and Hamiltonian machanics. Specifically, the lecture introduce how to use quantum mechanics to generate a potential energy function for molecules and materials.
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SMMDS Lecture 4: Hamiltonian Mechanics
Online Presentations | 19 Jul 2024 | Contributor(s):: Ming Chen
This lecture introduce a third formulism of classical mechanics: Hamiltonian Mechanics. Hamiltonian Mechanics provides a fundamental theory for molecular dynamics simulation.
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SMMDS Lecture 3: Lagrangian Mechanics II
Online Presentations | 18 Jul 2024 | Contributor(s):: Ming Chen
This lecture continues the discussion on Lagrangian Mechanics, including discussion on generalized coordinates and some examples.
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SMMDS Lecture 2: Lagrangian Mechanics I
Online Presentations | 17 Jul 2024 | Contributor(s):: Ming Chen
This lecture introduce a different formulism of classical mechanics: Lagrangian mechanics. Lagrangian mechanics provides a systematic way to generate time evolution equations for a many-body system.
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SMMDS Lecture 8: Molecular Dynamics Simulation - Coulomb Interaction and Ewald Summation
Online Presentations | 10 Jul 2024 | Contributor(s):: Ming Chen
This lecture introduce the detailed methods of calculating Coulomb interactions and the Ewald summation method.
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Theories in Statistical Mechanics and Molecular Dynamics Simulations
Courses | 20 Jun 2024 | Contributor(s):: Ming Chen
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SMMDS Lecture 9: Molecular Dynamics Simulation - Ewald Summation
Online Presentations | 20 Jun 2024 | Contributor(s):: Ming Chen
This lecture introduce the detailed theoretical background and implementation of Ewald Summation/Particle Mesh Ewald Summation.
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SMMDS Lecture 1: Introduction
Online Presentations | 03 Jun 2024 | Contributor(s):: Ming Chen
Welcome to the theories in Statistical Mechanics and Molecular Dynamics Simulation! Have you been puzzled on what to learn after elementary statistical mechanics? Have you had questions on why there are so many options in an input file for a MD simulation package? Are you...
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Sebastian Rivas
https://nanohub.org/members/296706
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Ivan C. Christov
Ivan Christov received his Ph.D. in Engineering Sciences and Applied Mathematics from Northwestern University. Subsequently, he was awarded an NSF Mathematical Sciences Postdoctoral Research...
https://nanohub.org/members/187912
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Allan Maple Oliveira
https://nanohub.org/members/57468
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Frank T Willmore
BS in Professional Chemistry, Valparaiso University 1993PhD in Chemical Engineering, University of Texas 2006
https://nanohub.org/members/56422
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Review of Statistical Mechanics
Teaching Materials | 30 Jun 2011 | Contributor(s):: Dragica Vasileska
This set of handwritten notes is part of the semiconductor transport class. It deals with the derivations of semiconductor statistics for bosons and fermions. It follows the approach of McKelvey.
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Alessandro Motta
https://nanohub.org/members/53317
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Giovanni Ramirez Garcia
Research interest: development of theoretical methods to study quantum many-body systems which are of interest in different areas such as Quantum Information and Quantum Simulation. Such systems...
https://nanohub.org/members/50475
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Fun in the Sand: Some Experiments in Granular Physics
Online Presentations | 25 Oct 2010 | Contributor(s):: Peter E. Schiffer
In the last two decades, condensed matter physicists have begun an intense study of the dynamic and static properties of granular media (materials made from individual acroscopic solid grains). These materials offer a vast arena of new physical phenomena which are highly accessible and largely...
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Statistical Mechanics
Teaching Materials | 20 Jul 2010 | Contributor(s):: Dragica Vasileska, David K. Ferry
This set of slides describes the derivation of Fermi-Dirac, Maxwell-Boltzmann and Bose-Einstein statistics.
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ABACUS Exercise: Carrier Statistics
Teaching Materials | 20 Jul 2010 | Contributor(s):: Dragica Vasileska
The objective of this exercise is to derive Bose-Einstein and Maxwell-Boltzmann statistics.